(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid

C10H18N2O5 — CID 142115980

IUPAC(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
SMILESCC(C)COC(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(2)5-17-10(16)11-4-8(13)12-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyPTWNFLHRJQNOKO-ZETCQYMHSA-N
MW246.26 g/mol
LogP-0.04
Rot. Bonds6

About (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid

(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid (PubChem CID 142115980) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
PubChem CID142115980
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
SMILESCC(C)COC(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(2)5-17-10(16)11-4-8(13)12-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyPTWNFLHRJQNOKO-ZETCQYMHSA-N
XLogP-0.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 171100444
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
2-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoylamino]propanoic acid
CID 18487522
2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 58871556
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid (CID 142115980) is (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid is CC(C)COC(=O)NCC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid?
The InChIKey is PTWNFLHRJQNOKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(2)5-17-10(16)11-4-8(13)12-7(3)9(14)15/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid?
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 142115980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).