(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid

C11H20N4O5 — CID 62923883

IUPAC(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-3-6(2)9(10(18)19)14-11(20)15(4-7(12)16)5-8(13)17/h6,9H,3-5H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,9-/m0/s1
InChIKeyVZQTXJFEVPAJMZ-RCOVLWMOSA-N
MW288.30 g/mol
LogP-1.53
Rot. Bonds8

About (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid

(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid (PubChem CID 62923883) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
PubChem CID62923883
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-3-6(2)9(10(18)19)14-11(20)15(4-7(12)16)5-8(13)17/h6,9H,3-5H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,9-/m0/s1
InChIKeyVZQTXJFEVPAJMZ-RCOVLWMOSA-N
XLogP-1.53
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylpentanoic acid
CID 61234317
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S)-2-(dibutylcarbamoylamino)-3-methylpentanoic acid
CID 61185893
2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197961
(2S,3S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61199474
(2S)-2-[[butan-2-yl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61197208
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113
(2S)-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 79386398
(2S,3S)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3-methylpentanoic acid
CID 102995394
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid (CID 62923883) is (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O.
What is the InChIKey of (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid?
The InChIKey is VZQTXJFEVPAJMZ-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-3-6(2)9(10(18)19)14-11(20)15(4-7(12)16)5-8(13)17/h6,9H,3-5H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,9-/m0/s1.
What are the key properties of (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid?
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 62923883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).