(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid

C10H20N4O3 — CID 162801560

IUPAC(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid
SMILESNC(=O)C1CCN(CCC[C@H](N)C(=O)O)NC1
InChIInChI=1S/C10H20N4O3/c11-8(10(16)17)2-1-4-14-5-3-7(6-13-14)9(12)15/h7-8,13H,1-6,11H2,(H2,12,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyBJVRJQOYGCWXAR-MQWKRIRWSA-N
MW244.29 g/mol
LogP-1.51
Rot. Bonds6

About (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid

(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid (PubChem CID 162801560) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid
PubChem CID162801560
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid
SMILESNC(=O)C1CCN(CCC[C@H](N)C(=O)O)NC1
InChIInChI=1S/C10H20N4O3/c11-8(10(16)17)2-1-4-14-5-3-7(6-13-14)9(12)15/h7-8,13H,1-6,11H2,(H2,12,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyBJVRJQOYGCWXAR-MQWKRIRWSA-N
XLogP-1.51
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 865
2-amino-5-pyrrolidin-1-ylpentanamide
CID 64990875
2-amino-5-piperidin-1-ylpentanamide
CID 89453537
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
1-octadecylpiperidine-4-carboxamide
CID 4134920
zinc 2,5-diaminopentanoic acid
CID 56838280
(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid
CID 7300382
carbamic acid;2,5-diaminopentanoic acid
CID 22153959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid (CID 162801560) is (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid is NC(=O)C1CCN(CCC[C@H](N)C(=O)O)NC1.
What is the InChIKey of (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid?
The InChIKey is BJVRJQOYGCWXAR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N4O3/c11-8(10(16)17)2-1-4-14-5-3-7(6-13-14)9(12)15/h7-8,13H,1-6,11H2,(H2,12,15)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid?
(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid is sourced from PubChem (CID 162801560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).