(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide

C6H14N4O2 — CID 142726582

IUPAC(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide
SMILES[2H]NC(=O)N[C@@H](CCCN)C(N)=O
InChIInChI=1S/C6H14N4O2/c7-3-1-2-4(5(8)11)10-6(9)12/h4H,1-3,7H2,(H2,8,11)(H3,9,10,12)/t4-/m0/s1/i/hD
InChIKeyMKBNTNWGBXFGRD-YZRVCBOHSA-N
MW175.21 g/mol
LogP-1.75
Rot. Bonds5

About (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide

(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide (PubChem CID 142726582) has the molecular formula C6H14N4O2 and a molecular weight of 175.21 g/mol. Its IUPAC name is (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide
PubChem CID142726582
Molecular FormulaC6H14N4O2
Molecular Weight175.21 g/mol
Exact Mass175.12
IUPAC Name(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide
SMILES[2H]NC(=O)N[C@@H](CCCN)C(N)=O
InChIInChI=1S/C6H14N4O2/c7-3-1-2-4(5(8)11)10-6(9)12/h4H,1-3,7H2,(H2,8,11)(H3,9,10,12)/t4-/m0/s1/i/hD
InChIKeyMKBNTNWGBXFGRD-YZRVCBOHSA-N
XLogP-1.75
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-6-aminohexanamide
CID 7021885
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
CID 172572063
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide
CID 140853235
(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide
CID 122462120
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide?
The IUPAC name of (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide (CID 142726582) is (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide.
What is the SMILES notation for (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide?
The canonical SMILES for (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide is [2H]NC(=O)N[C@@H](CCCN)C(N)=O.
What is the InChIKey of (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide?
The InChIKey is MKBNTNWGBXFGRD-YZRVCBOHSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-3-1-2-4(5(8)11)10-6(9)12/h4H,1-3,7H2,(H2,8,11)(H3,9,10,12)/t4-/m0/s1/i/hD.
What are the key properties of (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide?
(2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide has a molecular weight of 175.21 g/mol, XLogP of -1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(deuteriocarbamoylamino)pentanamide is sourced from PubChem (CID 142726582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).