(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide

C10H20N4O3 — CID 62922094

IUPAC(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(2)3-7(11)10(17)14(4-8(12)15)5-9(13)16/h6-7H,3-5,11H2,1-2H3,(H2,12,15)(H2,13,16)/t7-/m0/s1
InChIKeyQHFBHTMENGVOCT-ZETCQYMHSA-N
MW244.29 g/mol
LogP-1.84
Rot. Bonds7

About (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide

(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide (PubChem CID 62922094) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
PubChem CID62922094
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(2)3-7(11)10(17)14(4-8(12)15)5-9(13)16/h6-7H,3-5,11H2,1-2H3,(H2,12,15)(H2,13,16)/t7-/m0/s1
InChIKeyQHFBHTMENGVOCT-ZETCQYMHSA-N
XLogP-1.84
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
CID 61154043
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide (CID 62922094) is (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide?
The InChIKey is QHFBHTMENGVOCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6(2)3-7(11)10(17)14(4-8(12)15)5-9(13)16/h6-7H,3-5,11H2,1-2H3,(H2,12,15)(H2,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide?
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide has a molecular weight of 244.29 g/mol, XLogP of -1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide is sourced from PubChem (CID 62922094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).