(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid

C10H17N5O4 — CID 122535598

IUPAC(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)N[C@@H](C)c1nnc([C@H](C)N)o1)C(=O)O
InChIInChI=1S/C10H17N5O4/c1-4(11)7-14-15-8(19-7)5(2)12-10(18)13-6(3)9(16)17/h4-6H,11H2,1-3H3,(H,16,17)(H2,12,13,18)/t4-,5-,6-/m0/s1
InChIKeyYPHUHRFXESNFMM-ZLUOBGJFSA-N
MW271.28 g/mol
LogP-0.08
Rot. Bonds5

About (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid

(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid (PubChem CID 122535598) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid
PubChem CID122535598
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)N[C@@H](C)c1nnc([C@H](C)N)o1)C(=O)O
InChIInChI=1S/C10H17N5O4/c1-4(11)7-14-15-8(19-7)5(2)12-10(18)13-6(3)9(16)17/h4-6H,11H2,1-3H3,(H,16,17)(H2,12,13,18)/t4-,5-,6-/m0/s1
InChIKeyYPHUHRFXESNFMM-ZLUOBGJFSA-N
XLogP-0.08
TPSA143.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(1S)-1-[5-[(1S)-1-amino-2-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 117947863
(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 117947893
(2S)-2-[[(1S)-1-[5-[(1S)-1-amino-2-hydroxypropyl]-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 122535612
(2S)-2-[[(1S)-1-[5-[(1S)-1-amino-2-carboxyethyl]-1,3,4-oxadiazol-2-yl]-2-carboxyethyl]carbamoylamino]butanedioic acid
CID 122535669
2-[1-[5-(1-Amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 123349328
2-[[5-(1-Amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
CID 123481402
2-[1-[5-(1-Amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 123649395
2-[1-[5-(1-Aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 123653105
2-[1-[5-(1-Amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 123718856
2-Ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707234
2-Ethyl-3-propyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707277
2-[[(1S)-1-[5-[(1S)-1-amino-2-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 129027359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid (CID 122535598) is (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid is C[C@H](NC(=O)N[C@@H](C)c1nnc([C@H](C)N)o1)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid?
The InChIKey is YPHUHRFXESNFMM-ZLUOBGJFSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-4(11)7-14-15-8(19-7)5(2)12-10(18)13-6(3)9(16)17/h4-6H,11H2,1-3H3,(H,16,17)(H2,12,13,18)/t4-,5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid?
(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid has a molecular weight of 271.28 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122535598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).